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Fix Dihedrals --residues to restrict computation#18

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ainaadekunle merged 3 commits intoaai-research-lab:mainfrom
Paradoxicaly:main
Feb 12, 2026
Merged

Fix Dihedrals --residues to restrict computation#18
ainaadekunle merged 3 commits intoaai-research-lab:mainfrom
Paradoxicaly:main

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- Accept residue/residue_selection aliases for phi/psi/omega and combined dihedrals without warnings
- Preserve residue filtering in combined dihedrals and align warning handling with other analyses
- Add tests for residue alias parsing and filtered outputs across dihedral analyses
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codecov bot commented Feb 12, 2026

Codecov Report

❌ Patch coverage is 78.37838% with 8 lines in your changes missing coverage. Please review.

Files with missing lines Patch % Lines
src/fastmdanalysis/analysis/dihedrals.py 78.37% 4 Missing and 4 partials ⚠️

📢 Thoughts on this report? Let us know!

@ainaadekunle ainaadekunle merged commit b7103a9 into aai-research-lab:main Feb 12, 2026
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2 participants